SCHEMBL13423903

SCHEMBL13423903

CC(=O)Nc1cc2n(n1)CCc1cnn(-c3ccccc3C)c1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HDAC9 Q9UKV0 2/20 0.36
SCN9A Q15858 1/20 0.36
SLC5A1 P13866 4/20 0.36
MAP4K4 O95819 1/20 0.36
ABL1 P00519 1/20 0.36
MAPK8 P45983 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CDK7 P50613 1/20 0.36
TYRO3 Q06418 1/20 0.36
LRRK2 Q5S007 1/20 0.36
AURKB Q96GD4 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
MAPK14 Q16539 2/20 0.35
WNT3A P56704 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13423904 0.94 NR3C2 (0.38) NR3C2ADORA2AADORA1ALDH1A1HDAC9
SCHEMBL13423905 0.90 WNT3A (0.40) ADORA2AADORA1ALDH1A1MAP4K4ABL1
SCHEMBL13423906 0.84 WNT3A (0.39) ADORA2AADORA1ALDH1A1MAP4K4ABL1
SCHEMBL2359449 0.83 ALDH1A1 (0.53) NR3C2ALDH1A1HDAC9MAPK14PKM
SCHEMBL13423952 0.82 ALDH1A1 (0.41) NR3C2ALDH1A1HDAC9SCN9AMAPK14
SCHEMBL13424058 0.80 RIPK1 (0.44) NR3C2SMN1; SMN2NPC1RAB9A
SCHEMBL13424054 0.79 ALDH1A1 (0.39) NR3C2ALDH1A1HDAC9SCN9AMAPK14
SCHEMBL13423964 0.78 MAPT (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL13424088 0.78 HTR2C (0.47) ALDH1A1USP2PKMSMN1; SMN2MEN1
SCHEMBL13423874 0.78 ALDH1A1 (0.40) ALDH1A1MAPK14USP2SMN1; SMN2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350084-B1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (PI3-KINASES) INHIBITOR BOEHRINGER INGELHEIM INT (DE) 2015-06-24 EP disclosed
US-8653097-B2 Tetra-aza-heterocycles as phosphatidylinositol-3-kinases (P13-kinases) inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-8653097-B2 Tetra-aza-heterocycles as phosphatidylinositol-3-kinases (P13-kinases) inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20110312940-A1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (P13-KINASES) INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312940-A1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (P13-KINASES) INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
WO-2010043676-A1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (PI3-KINASES) INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110312940-A1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (P13-KINASES) INHIBITOR CCNK, CDK1, CDKN1A NR3C2 1291/4885ADORA2A 885/4885ADORA1 824/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.